CID 3085638

Isostearic acid, tris(hydroxymethyl)methylamine ester

Structural Information

Molecular Formula
C21H44N2O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)(N)N
InChI
InChI=1S/C21H44N2O3/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(25)26-18-21(22,23)17-24/h19,24H,3-18,22-23H2,1-2H3
InChIKey
YUPIDVHMNHQCMD-UHFFFAOYSA-N
Compound name
(2,2-diamino-3-hydroxypropyl) 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.3352 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.34248 199.6
[M+Na]+ 395.32442 201.9
[M+NH4]+ 390.36902 205.5
[M+K]+ 411.29836 197.5
[M-H]- 371.32792 196.2
[M+Na-2H]- 393.30987 196.4
[M]+ 372.33465 198.2
[M]- 372.33575 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.